7-bromo-3-methoxyisoquinoline

C10H8BrNO — CID 67491766

IUPAC7-bromo-3-methoxyisoquinoline
SMILESCOc1cc2ccc(Br)cc2cn1
InChIInChI=1S/C10H8BrNO/c1-13-10-5-7-2-3-9(11)4-8(7)6-12-10/h2-6H,1H3
InChIKeyUUOPCILVZYFPAA-UHFFFAOYSA-N
MW238.08 g/mol
LogP3.01
Rot. Bonds1

About 7-bromo-3-methoxyisoquinoline

7-bromo-3-methoxyisoquinoline (PubChem CID 67491766) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 7-bromo-3-methoxyisoquinoline.

Molecular Properties

Compound Name7-bromo-3-methoxyisoquinoline
PubChem CID67491766
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name7-bromo-3-methoxyisoquinoline
SMILESCOc1cc2ccc(Br)cc2cn1
InChIInChI=1S/C10H8BrNO/c1-13-10-5-7-2-3-9(11)4-8(7)6-12-10/h2-6H,1H3
InChIKeyUUOPCILVZYFPAA-UHFFFAOYSA-N
XLogP3.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-3-methoxyisoquinoline
CID 67491807
3,7-dibromoisoquinoline
CID 121231774
(3-methoxyisoquinolin-7-yl)methanol
CID 126675662
6-bromo-2-methoxy-1,8-naphthyridine
CID 122362494
(6-bromoisoquinolin-3-yl) formate
CID 89403095
methyl 3-methoxyisoquinoline-7-carboxylate
CID 126676671
5-bromo-2-methoxypyridine
CID 2734895
2,6-dibromonaphthalene
CID 640591
7-bromo-3-[(3,5-dimethylphenyl)methyl]isoquinoline
CID 134189433
N-(7-bromoisoquinolin-3-yl)acetamide
CID 143763768
7-bromo-3-(chloromethyl)isoquinoline;hydrochloride
CID 122129756
3-bromo-7-methoxyquinoline
CID 18788548

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-methoxyisoquinoline?
The IUPAC name of 7-bromo-3-methoxyisoquinoline (CID 67491766) is 7-bromo-3-methoxyisoquinoline.
What is the SMILES notation for 7-bromo-3-methoxyisoquinoline?
The canonical SMILES for 7-bromo-3-methoxyisoquinoline is COc1cc2ccc(Br)cc2cn1.
What is the InChIKey of 7-bromo-3-methoxyisoquinoline?
The InChIKey is UUOPCILVZYFPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c1-13-10-5-7-2-3-9(11)4-8(7)6-12-10/h2-6H,1H3.
What are the key properties of 7-bromo-3-methoxyisoquinoline?
7-bromo-3-methoxyisoquinoline has a molecular weight of 238.08 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-methoxyisoquinoline is sourced from PubChem (CID 67491766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).